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Information card for entry 1519357
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Coordinates | 1519357.cif |
---|
Formula | C22 H28 N4 O2 |
---|---|
Calculated formula | C22 H28 N4 O2 |
SMILES | COC(=O)c1ccc(cc1)c1c(nc2ncccn12)NC(C)(C)CC(C)(C)C |
Title of publication | 3-(4-Methoxycarbonylphenyl)-2-(2,4,4-trimethyl-2-pentylamino)imidazo-(1,2-a) pyrimidine |
Authors of publication | Bradley, M.; Hursthouse, Michael B.; Russell, A.; Light, Mark E.; Mandair, G. S. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2001 |
Pages of publication | 130 |
a | 12.6651 ± 0.0005 Å |
b | 13.6078 ± 0.0007 Å |
c | 12.3362 ± 0.0005 Å |
α | 90° |
β | 95.807 ± 0.003° |
γ | 90° |
Cell volume | 2115.16 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0644 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.1081 |
Weighted residual factors for all reflections included in the refinement | 0.1216 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1519357.html
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